1.0 2010-04-08 22:13:45 UTC 2025-11-19 02:11:49 UTC FDB018500 Camellioside C Constituent of Camellia japonica. Camellioside C is found in tea and fats and oils. (-)-Camellioside C Camellioside C C53H82O23 1087.2044 1086.52468893 6-[(4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,14,14a,14b-octadecahydropicen-3-yl)oxy]-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid 6-[(4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-1,2,3,4a,5,6,7,9,10,12,14,14a-dodecahydropicen-3-yl)oxy]-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid 380303-68-4 CC1(C)CCC2=C(C1)C1=CCC3C4(C)CCC(OC5OC(C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C)C4CCC3(C)C1(C)CC2=O InChI=1S/C53H82O23/c1-49(2)13-10-21-22(16-49)23-8-9-29-51(5)14-12-30(50(3,4)28(51)11-15-52(29,6)53(23,7)17-24(21)57)72-48-43(76-46-38(65)35(62)32(59)26(19-55)70-46)40(39(66)41(74-48)44(67)68)73-47-42(36(63)33(60)27(20-56)71-47)75-45-37(64)34(61)31(58)25(18-54)69-45/h8,25-43,45-48,54-56,58-66H,9-20H2,1-7H3,(H,67,68) SKIHUNYUOHGHDD-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds Acetals Beta hydroxy acids and derivatives Carboxylic acids Cyclohexenones Fatty acyl glycosides Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glucuronides O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrans Secondary alcohols 1-o-glucuronide Acetal Alcohol Aliphatic heteropolycyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclohexenone Fatty acyl Fatty acyl glycoside Glucuronic acid or derivatives Glycosyl compound Hydrocarbon derivative Hydroxy acid Ketone Monocarboxylic acid or derivatives O-glucuronide O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Pyran Secondary alcohol Triterpenoid logp 1.00 ALOGPS logs -2.90 ALOGPS solubility 1.37e+00 g/l ALOGPS melting_point Mp 224-227° logp -0.78 ChemAxon pka_strongest_acidic 3.28 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-[(4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,14,14a,14b-octadecahydropicen-3-yl)oxy]-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid ChemAxon average_mass 1087.2044 ChemAxon mono_mass 1086.52468893 ChemAxon smiles CC1(C)CCC2=C(C1)C1=CCC3C4(C)CCC(OC5OC(C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C)C4CCC3(C)C1(C)CC2=O ChemAxon formula C53H82O23 ChemAxon inchi InChI=1S/C53H82O23/c1-49(2)13-10-21-22(16-49)23-8-9-29-51(5)14-12-30(50(3,4)28(51)11-15-52(29,6)53(23,7)17-24(21)57)72-48-43(76-46-38(65)35(62)32(59)26(19-55)70-46)40(39(66)41(74-48)44(67)68)73-47-42(36(63)33(60)27(20-56)71-47)75-45-37(64)34(61)31(58)25(18-54)69-45/h8,25-43,45-48,54-56,58-66H,9-20H2,1-7H3,(H,67,68) ChemAxon inchikey SKIHUNYUOHGHDD-UHFFFAOYSA-N ChemAxon polar_surface_area 370.97 ChemAxon refractivity 258.23 ChemAxon polarizability 114.44 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 23 ChemAxon donor_count 13 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 82017 Specdb::MsMs 82018 Specdb::MsMs 82019 Specdb::MsMs 143265 Specdb::MsMs 143266 Specdb::MsMs 143267 Specdb::MsMs 2351047 Specdb::MsMs 2351048 Specdb::MsMs 2351049 Specdb::MsMs 2583941 Specdb::MsMs 2583942 Specdb::MsMs 2583943 Specdb::NmrOneD 30642 Specdb::NmrOneD 30643 Specdb::NmrOneD 30644 Specdb::NmrOneD 30645 Specdb::NmrOneD 30646 Specdb::NmrOneD 30647 Specdb::NmrOneD 30648 Specdb::NmrOneD 30649 Specdb::NmrOneD 30650 Specdb::NmrOneD 30651 Specdb::NmrOneD 30652 Specdb::NmrOneD 30653 Specdb::NmrOneD 30654 Specdb::NmrOneD 30655 Specdb::NmrOneD 30656 Specdb::NmrOneD 30657 Specdb::NmrOneD 30658 Specdb::NmrOneD 30659 Specdb::NmrOneD 30660 Specdb::NmrOneD 30661 HMDB39006 #<Reference:0x000055ce32918380> Black tea Type 1 Fats and oils Unknown generic Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442